N-[(4-bromophenyl)methyl]-1-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]pyrazole-4-sulfonamide

Systemtic Name: N-[(4-bromophenyl)methyl]-1-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]pyrazole-4-sulfonamide Openeye Name: N-[(4-bromophenyl)methyl]-1-methyl-N-[(3R)-2-oxoazepan-3-yl]pyrazole-4-sulfonamide CAS Name: N-[(4-bromophenyl)methyl]-1-methyl-N-[(3R)-2-oxo-3-azepanyl]-4-pyrazolesulfonamide IUPAC Name: N-[(4-bromophenyl)methyl]-1-methyl-N-[(3R)-2-oxoazepan-3-yl]pyrazole-4-sulfonamide Traditional Name: N-(4-bromobenzyl)-N-[(3R)-2-ketoazepan-3-yl]-1-methyl-pyrazole-4-sulfonamide Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)C3CCCCNC3=O

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)N(CC2=CC=C(C=C2)Br)[C@@H]3CCCCNC3=O

InChI

InChI=1S/C17H21BrN4O3S/c1-21-12-15(10-20-21)26(24,25)22(11-13-5-7-14(18)8-6-13)16-4-2-3-9-19-17(16)23/h5-8,10,12,16H,2-4,9,11H2,1H3,(H,19,23)/t16-/m1/s1