3-[(2R)-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]pyrrolidin-2-yl]pyridine

Systemtic Name: 3-[(2R)-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]pyrrolidin-2-yl]pyridine Openeye Name: 3-[(2R)-1-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]pyrrolidin-2-yl]pyridine CAS Name: 3-[(2R)-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-2-pyrrolidinyl]pyridine IUPAC Name: 3-[(2R)-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]pyrrolidin-2-yl]pyridine Traditional Name: 3-[(2R)-1-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]pyrrolidin-2-yl]pyridine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@@H]3C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4S/c1-16-8-12-23(13-9-16)30(28,29)18-6-7-20(21(14-18)25(26)27)24-11-3-5-19(24)17-4-2-10-22-15-17/h2,4,6-7,10,14-16,19H,3,5,8-9,11-13H2,1H3/t19-/m1/s1