N-[(4-butylphenyl)methyl]-4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide

Systemtic Name: N-[(4-butylphenyl)methyl]-4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: N-[(4-butylphenyl)methyl]-4-chloro-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: N-[(4-butylphenyl)methyl]-4-chloro-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: N-[(4-butylphenyl)methyl]-4-chloro-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: N-(4-butylbenzyl)-4-chloro-N-[(3R)-2-ketoazepan-3-yl]benzenesulfonamide Formula: C23H29ClN2O3S MolecularWeight: 449.00596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN([C@@H]2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O3S/c1-2-3-6-18-8-10-19(11-9-18)17-26(22-7-4-5-16-25-23(22)27)30(28,29)21-14-12-20(24)13-15-21/h8-15,22H,2-7,16-17H2,1H3,(H,25,27)/t22-/m1/s1