N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]octane-1-sulfonamide

Systemtic Name: N-[4-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]phenyl]octane-1-sulfonamide Openeye Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octane-1-sulfonamide CAS Name: N-[4-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-octanesulfonamide IUPAC Name: N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octane-1-sulfonamide Traditional Name: N-[4-[4-(4-tert-butylbenzoyl)piperazino]phenyl]octane-1-sulfonamide Formula: C29H43N3O3S MolecularWeight: 513.73502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H43N3O3S/c1-5-6-7-8-9-10-23-36(34,35)30-26-15-17-27(18-16-26)31-19-21-32(22-20-31)28(33)24-11-13-25(14-12-24)29(2,3)4/h11-18,30H,5-10,19-23H2,1-4H3