1-(3,4-dimethoxyphenyl)sulfonyl-5-[4-(phenylmethyl)piperazin-1-yl]indole

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-5-[4-(phenylmethyl)piperazin-1-yl]indole Openeye Name: 5-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-indole CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-5-[4-(phenylmethyl)-1-piperazinyl]indole IUPAC Name: 5-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)sulfonylindole Traditional Name: 5-(4-benzylpiperazino)-1-(3,4-dimethoxyphenyl)sulfonyl-indole Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)N4CCN(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3)N4CCN(CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C27H29N3O4S/c1-33-26-11-9-24(19-27(26)34-2)35(31,32)30-13-12-22-18-23(8-10-25(22)30)29-16-14-28(15-17-29)20-21-6-4-3-5-7-21/h3-13,18-19H,14-17,20H2,1-2H3