4-(1H-indol-3-yl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]butan-1-one Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

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