N-[3-(imidazol-1-ylmethyl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)CN4C=CN=C4

InChI

InChI=1S/C21H21N5O4S/c27-20-14-26(10-8-23-20)31(29,30)19-6-2-4-17(12-19)21(28)24-18-5-1-3-16(11-18)13-25-9-7-22-15-25/h1-7,9,11-12,15H,8,10,13-14H2,(H,23,27)(H,24,28)