ethyl 4-[4-[cyano-[4-(4-methoxyphenyl)sulfinylphenyl]amino]piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[cyano-[4-(4-methoxyphenyl)sulfinylphenyl]amino]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[N-cyano-4-(4-methoxyphenyl)sulfinyl-anilino]-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-[N-cyano-4-(4-methoxyphenyl)sulfinylanilino]-1-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[N-cyano-4-(4-methoxyphenyl)sulfinylanilino]piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[N-cyano-4-(4-methoxyphenyl)sulfinyl-anilino]piperidino]piperidine-1-carboxylic acid ethyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCC(CC2)N(C#N)C3=CC=C(C=C3)S(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCC(CC2)N(C#N)C3=CC=C(C=C3)S(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O4S/c1-3-35-27(32)30-18-12-21(13-19-30)29-16-14-23(15-17-29)31(20-28)22-4-8-25(9-5-22)36(33)26-10-6-24(34-2)7-11-26/h4-11,21,23H,3,12-19H2,1-2H3