ethyl 4-[4-(1-methylindol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(1-methylindol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(1-methyl-3-indolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1-methylindole-3-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C23H25N3O5S/c1-3-31-23(28)17-8-10-18(11-9-17)32(29,30)26-14-12-25(13-15-26)22(27)20-16-24(2)21-7-5-4-6-19(20)21/h4-11,16H,3,12-15H2,1-2H3