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

Systemtic Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]thiophene-2-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxo-3-azepanyl]-2-thiophenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-5-methyl-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-5-methyl-thiophene-2-sulfonamide Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S2/c1-13-5-10-17(25-13)26(23,24)21(12-14-6-8-15(19)9-7-14)16-4-2-3-11-20-18(16)22/h5-10,16H,2-4,11-12H2,1H3,(H,20,22)/t16-/m1/s1