N-(3,4-dimethoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(3,4-dimethoxyphenyl)benzamide CAS Name: N-(3,4-dimethoxyphenyl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(3,4-dimethoxyphenyl)benzamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H29N3O5S/c1-33-24-12-11-22(18-25(24)34-2)27-26(30)21-9-6-10-23(17-21)35(31,32)29-15-13-28(14-16-29)19-20-7-4-3-5-8-20/h3-12,17-18H,13-16,19H2,1-2H3,(H,27,30)