N-[(4-chlorophenyl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(4-chlorophenyl)methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4-chlorobenzyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O4S/c19-15-6-4-13(5-7-15)11-21-18(24)14-2-1-3-16(10-14)27(25,26)22-9-8-20-17(23)12-22/h1-7,10H,8-9,11-12H2,(H,20,23)(H,21,24)