N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[(3R)-2-oxidanylideneazepan-3-yl]thiophene-3-sulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[(3R)-2-oxidanylideneazepan-3-yl]thiophene-3-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[(3R)-2-oxoazepan-3-yl]thiophene-3-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[(3R)-2-oxo-3-azepanyl]-3-thiophenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[(3R)-2-oxoazepan-3-yl]thiophene-3-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-2,5-dimethyl-thiophene-3-sulfonamide Formula: C19H23BrN2O3S2 MolecularWeight: 471.43152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N(CC2=CC=C(C=C2)Br)[C@@H]3CCCCNC3=O

InChI

InChI=1S/C19H23BrN2O3S2/c1-13-11-18(14(2)26-13)27(24,25)22(12-15-6-8-16(20)9-7-15)17-5-3-4-10-21-19(17)23/h6-9,11,17H,3-5,10,12H2,1-2H3,(H,21,23)/t17-/m1/s1