1-[1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-4-yl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: 1-[1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidin-4-yl]carbonylpyrrolidine-2-carboxamide Openeye Name: 1-[1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: 1-[[1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: 1-[1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotoyl]pyrrolidine-2-carboxamide Formula: C21H29N5O7S MolecularWeight: 495.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C21H29N5O7S/c22-20(27)18-2-1-7-25(18)21(28)15-5-8-23(9-6-15)17-4-3-16(14-19(17)26(29)30)34(31,32)24-10-12-33-13-11-24/h3-4,14-15,18H,1-2,5-13H2,(H2,22,27)