ethyl 1-[(E)-3-[1-(5-chloranylthiophen-2-yl)sulfonylindol-3-yl]prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(E)-3-[1-(5-chloranylthiophen-2-yl)sulfonylindol-3-yl]prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-[1-[(5-chloro-2-thienyl)sulfonyl]indol-3-yl]prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-[1-[(5-chloro-2-thiophenyl)sulfonyl]-3-indolyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-[1-(5-chlorothiophen-2-yl)sulfonylindol-3-yl]prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-[1-[(5-chloro-2-thienyl)sulfonyl]indol-3-yl]acryloyl]nipecotic acid ethyl ester Formula: C23H23ClN2O5S2 MolecularWeight: 507.02212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C=CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H23ClN2O5S2/c1-2-31-23(28)17-6-5-13-25(14-17)21(27)11-9-16-15-26(19-8-4-3-7-18(16)19)33(29,30)22-12-10-20(24)32-22/h3-4,7-12,15,17H,2,5-6,13-14H2,1H3/b11-9+