N-[(4-bromophenyl)methyl]-5-(1,3-oxazol-5-yl)-N-[(3R)-2-oxidanylideneazepan-3-yl]thiophene-2-sulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-5-(1,3-oxazol-5-yl)-N-[(3R)-2-oxidanylideneazepan-3-yl]thiophene-2-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-5-oxazol-5-yl-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-5-(5-oxazolyl)-N-[(3R)-2-oxo-3-azepanyl]-2-thiophenesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-5-(1,3-oxazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]thiophene-2-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-5-oxazol-5-yl-thiophene-2-sulfonamide Formula: C20H20BrN3O4S2 MolecularWeight: 510.4245

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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=CN=CO4

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)N(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(S3)C4=CN=CO4

InChI

InChI=1S/C20H20BrN3O4S2/c21-15-6-4-14(5-7-15)12-24(16-3-1-2-10-23-20(16)25)30(26,27)19-9-8-18(29-19)17-11-22-13-28-17/h4-9,11,13,16H,1-3,10,12H2,(H,23,25)/t16-/m1/s1