phenyl 4-[2-azanyl-2-(4-methoxyphenyl)sulfinyl-piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: phenyl 4-[2-azanyl-2-(4-methoxyphenyl)sulfinyl-piperidin-1-yl]piperidine-1-carboxylate Openeye Name: phenyl 4-[2-amino-2-(4-methoxyphenyl)sulfinyl-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[2-amino-2-(4-methoxyphenyl)sulfinyl-1-piperidinyl]-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[2-amino-2-(4-methoxyphenyl)sulfinylpiperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[2-amino-2-(4-methoxyphenyl)sulfinyl-piperidino]piperidine-1-carboxylic acid phenyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)C2(CCCCN2C3CCN(CC3)C(=O)OC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)C2(CCCCN2C3CCN(CC3)C(=O)OC4=CC=CC=C4)N

InChI

InChI=1S/C24H31N3O4S/c1-30-20-9-11-22(12-10-20)32(29)24(25)15-5-6-16-27(24)19-13-17-26(18-14-19)23(28)31-21-7-3-2-4-8-21/h2-4,7-12,19H,5-6,13-18,25H2,1H3