3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-N-prop-2-enyl-benzamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-N-prop-2-enyl-benzamide Openeye Name: N-allyl-3-(4-benzylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-N-prop-2-enylbenzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide Traditional Name: N-allyl-3-(4-benzylpiperazino)sulfonyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-2-11-22-21(25)19-9-6-10-20(16-19)28(26,27)24-14-12-23(13-15-24)17-18-7-4-3-5-8-18/h2-10,16H,1,11-15,17H2,(H,22,25)