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

Systemtic Name: methyl 2-[[4-(4-bromophenyl)piperidin-1-yl]sulfonyl-(3-pyridin-3-ylpropyl)amino]-3-methyl-butanoate Openeye Name: methyl 2-[[4-(4-bromophenyl)-1-piperidyl]sulfonyl-[3-(3-pyridyl)propyl]amino]-3-methyl-butanoate CAS Name: 2-[[4-(4-bromophenyl)-1-piperidinyl]sulfonyl-[3-(3-pyridinyl)propyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-bromophenyl)piperidin-1-yl]sulfonyl-(3-pyridin-3-ylpropyl)amino]-3-methylbutanoate Traditional Name: 2-[[4-(4-bromophenyl)piperidino]sulfonyl-[3-(3-pyridyl)propyl]amino]-3-methyl-butyric acid methyl ester Formula: C25H34BrN3O4S MolecularWeight: 552.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N(CCCC1=CN=CC=C1)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)OC)N(CCCC1=CN=CC=C1)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H34BrN3O4S/c1-19(2)24(25(30)33-3)29(15-5-7-20-6-4-14-27-18-20)34(31,32)28-16-12-22(13-17-28)21-8-10-23(26)11-9-21/h4,6,8-11,14,18-19,22,24H,5,7,12-13,15-17H2,1-3H3