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

Systemtic Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]-5-pyridin-2-yl-thiophene-2-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]-5-(2-pyridyl)thiophene-2-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]-5-(2-pyridinyl)-2-thiophenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-5-(2-pyridyl)thiophene-2-sulfonamide Formula: C22H22BrN3O3S2 MolecularWeight: 520.46238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4

InChI

InChI=1S/C22H22BrN3O3S2/c23-17-9-7-16(8-10-17)15-26(19-6-2-4-14-25-22(19)27)31(28,29)21-12-11-20(30-21)18-5-1-3-13-24-18/h1,3,5,7-13,19H,2,4,6,14-15H2,(H,25,27)/t19-/m1/s1