4-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzenesulfonamide Openeye Name: 4-methoxy-N-[(1S)-2-methyl-1-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]propyl]benzenesulfonamide CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzenesulfonamide Traditional Name: 4-methoxy-N-[(1S)-2-methyl-1-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]propyl]benzenesulfonamide Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=CS2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCN(CC1)CC2=CC=CS2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H31N3O4S2/c1-17(2)21(23-31(27,28)20-9-7-18(29-3)8-10-20)22(26)25-12-5-11-24(13-14-25)16-19-6-4-15-30-19/h4,6-10,15,17,21,23H,5,11-14,16H2,1-3H3/t21-/m0/s1