N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]naphthalene-2-sulfonamide Openeye Name: N-[[3-(cyclopentoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]naphthalene-2-sulfonamide CAS Name: N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-2-naphthalenesulfonamide IUPAC Name: N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]naphthalene-2-sulfonamide Traditional Name: N-[3-(cyclopentoxy)benzyl]-N-[(3S)-2-ketoazepan-3-yl]naphthalene-2-sulfonamide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC(=CC=C2)OC3CCCC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H32N2O4S/c31-28-27(14-5-6-17-29-28)30(20-21-8-7-13-25(18-21)34-24-11-3-4-12-24)35(32,33)26-16-15-22-9-1-2-10-23(22)19-26/h1-2,7-10,13,15-16,18-19,24,27H,3-6,11-12,14,17,20H2,(H,29,31)/t27-/m0/s1