1-(4-methylpiperazin-1-yl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butan-1-one

Systemtic Name: 1-(4-methylpiperazin-1-yl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butan-1-one Openeye Name: 1-(4-methylpiperazin-1-yl)-4-[1-(2-thienylsulfonyl)indol-3-yl]butan-1-one CAS Name: 1-(4-methyl-1-piperazinyl)-4-(1-thiophen-2-ylsulfonyl-3-indolyl)-1-butanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-4-(1-thiophen-2-ylsulfonylindol-3-yl)butan-1-one Traditional Name: 1-(4-methylpiperazino)-4-[1-(2-thienylsulfonyl)indol-3-yl]butan-1-one Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O3S2/c1-22-11-13-23(14-12-22)20(25)9-4-6-17-16-24(19-8-3-2-7-18(17)19)29(26,27)21-10-5-15-28-21/h2-3,5,7-8,10,15-16H,4,6,9,11-14H2,1H3