1-(4-butoxyphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]indole hydrochloride

Systemtic Name: 1-(4-butoxyphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]indole hydrochloride Openeye Name: 4-(4-benzylpiperazin-1-yl)-1-(4-butoxyphenyl)sulfonyl-indole hydrochloride CAS Name: 1-(4-butoxyphenyl)sulfonyl-4-[4-(phenylmethyl)-1-piperazinyl]indole hydrochloride IUPAC Name: 4-(4-benzylpiperazin-1-yl)-1-(4-butoxyphenyl)sulfonylindole hydrochloride Traditional Name: 4-(4-benzylpiperazino)-1-(4-butoxyphenyl)sulfonyl-indole hydrochloride Formula: C29H34ClN3O3S MolecularWeight: 540.11656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCN(CC4)CC5=CC=CC=C5.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCN(CC4)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C29H33N3O3S.ClH/c1-2-3-22-35-25-12-14-26(15-13-25)36(33,34)32-17-16-27-28(10-7-11-29(27)32)31-20-18-30(19-21-31)23-24-8-5-4-6-9-24;/h4-17H,2-3,18-23H2,1H3;1H