ethyl 1-[2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[3-[(3-chlorophenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[3-(3-chlorobenzyl)sulfonylindol-1-yl]acetyl]nipecotic acid ethyl ester Formula: C25H27ClN2O5S MolecularWeight: 503.01028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H27ClN2O5S/c1-2-33-25(30)19-8-6-12-27(14-19)24(29)16-28-15-23(21-10-3-4-11-22(21)28)34(31,32)17-18-7-5-9-20(26)13-18/h3-5,7,9-11,13,15,19H,2,6,8,12,14,16-17H2,1H3