methyl 1-[4-[4-(1H-indol-3-yl)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[4-(1H-indol-3-yl)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[4-(1H-indol-3-yl)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[4-(1H-indol-3-yl)butanoylamino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[4-(1H-indol-3-yl)butanoylamino]phenyl]sulfonylnipecotic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O5S/c1-33-25(30)19-7-5-15-28(17-19)34(31,32)21-13-11-20(12-14-21)27-24(29)10-4-6-18-16-26-23-9-3-2-8-22(18)23/h2-3,8-9,11-14,16,19,26H,4-7,10,15,17H2,1H3,(H,27,29)