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

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-4-chloranyl-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: N-(4-tert-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN2O3S/c1-23(2,3)18-9-7-17(8-10-18)16-26(21-6-4-5-15-25-22(21)27)30(28,29)20-13-11-19(24)12-14-20/h7-14,21H,4-6,15-16H2,1-3H3,(H,25,27)/t21-/m1/s1