methyl 2-[[4-(4-bromophenyl)piperidin-1-yl]oxysulfinyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[4-(4-bromophenyl)piperidin-1-yl]oxysulfinyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoate Openeye Name: methyl 2-[[4-(4-bromophenyl)-1-piperidyl]oxysulfinyl-(3-pyridylmethyl)amino]-3-methyl-butanoate CAS Name: 2-[[4-(4-bromophenyl)-1-piperidinyl]oxysulfinyl-(3-pyridinylmethyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-bromophenyl)piperidin-1-yl]oxysulfinyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoate Traditional Name: 2-[[4-(4-bromophenyl)piperidino]oxysulfinyl-(3-pyridylmethyl)amino]-3-methyl-butyric acid methyl ester Formula: C23H30BrN3O4S MolecularWeight: 524.471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CC1=CN=CC=C1)S(=O)ON2CCC(CC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)OC)N(CC1=CN=CC=C1)S(=O)ON2CCC(CC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H30BrN3O4S/c1-17(2)22(23(28)30-3)27(16-18-5-4-12-25-15-18)32(29)31-26-13-10-20(11-14-26)19-6-8-21(24)9-7-19/h4-9,12,15,17,20,22H,10-11,13-14,16H2,1-3H3