N-(1,4-diphenylbutyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1,4-diphenylbutyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(1,4-diphenylbutyl)-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(1,4-diphenylbutyl)-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(1,4-diphenylbutyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(1,4-diphenylbutyl)-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c31-26-20-30(19-18-28-26)35(33,34)24-16-14-23(15-17-24)27(32)29-25(22-11-5-2-6-12-22)13-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-12,14-17,25H,7,10,13,18-20H2,(H,28,31)(H,29,32)