N-[4-[4-[[(9S)-9-(2-methylpropyl)-7,10-bis(oxidanylidene)-11-propyl-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]phenyl]methanesulfonamide hydrochloride

Systemtic Name: N-[4-[4-[[(9S)-9-(2-methylpropyl)-7,10-bis(oxidanylidene)-11-propyl-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]phenyl]methanesulfonamide hydrochloride Openeye Name: N-[4-[4-[[(9S)-9-isobutyl-7,10-dioxo-11-propyl-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]phenyl]methanesulfonamide hydrochloride CAS Name: N-[4-[4-[[(9S)-9-(2-methylpropyl)-7,10-dioxo-11-propyl-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]phenyl]methanesulfonamide hydrochloride IUPAC Name: N-[4-[4-[[(9S)-9-(2-methylpropyl)-7,10-dioxo-11-propyl-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]phenyl]methanesulfonamide hydrochloride Traditional Name: N-[4-[4-[[(9S)-9-isobutyl-7,10-diketo-11-propyl-3,8,11-triazaspiro[5.5]undecan-3-yl]methyl]phenoxy]phenyl]methanesulfonamide hydrochloride Formula: C29H41ClN4O5S MolecularWeight: 593.17764

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)NS(=O)(=O)C)CC(C)C.Cl

Isomeric SMILES

CCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)NS(=O)(=O)C)CC(C)C.Cl

InChI

InChI=1S/C29H40N4O5S.ClH/c1-5-16-33-27(34)26(19-21(2)3)30-28(35)29(33)14-17-32(18-15-29)20-22-6-10-24(11-7-22)38-25-12-8-23(9-13-25)31-39(4,36)37;/h6-13,21,26,31H,5,14-20H2,1-4H3,(H,30,35);1H/t26-;/m0./s1