N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=C(N1C)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H22N4O4S/c1-13-6-7-15(21(13)2)11-20-18(24)14-4-3-5-16(10-14)27(25,26)22-9-8-19-17(23)12-22/h3-7,10H,8-9,11-12H2,1-2H3,(H,19,23)(H,20,24)