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

Systemtic Name: 2-[[4-(4-bromophenyl)piperidin-1-yl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanamide Openeye Name: 2-[[4-(4-bromophenyl)-1-piperidyl]sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanamide CAS Name: 2-[[4-(4-bromophenyl)-1-piperidinyl]sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanamide IUPAC Name: 2-[[4-(4-bromophenyl)piperidin-1-yl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide Traditional Name: 2-[[4-(4-bromophenyl)piperidino]sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyramide Formula: C22H29BrN4O3S MolecularWeight: 509.45966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)N(CC1=CN=CC=C1)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)N)N(CC1=CN=CC=C1)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H29BrN4O3S/c1-16(2)21(22(24)28)27(15-17-4-3-11-25-14-17)31(29,30)26-12-9-19(10-13-26)18-5-7-20(23)8-6-18/h3-8,11,14,16,19,21H,9-10,12-13,15H2,1-2H3,(H2,24,28)