[1-(pyridin-4-ylmethyl)piperidin-2-yl]methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate

Systemtic Name: [1-(pyridin-4-ylmethyl)piperidin-2-yl]methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: [1-(4-pyridylmethyl)-2-piperidyl]methyl 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylate CAS Name: 4-(3-nitro-5-sulfamoyl-2-thiophenyl)-1-piperazinecarboxylic acid [1-(pyridin-4-ylmethyl)-2-piperidinyl]methyl ester IUPAC Name: [1-(pyridin-4-ylmethyl)piperidin-2-yl]methyl 4-(3-nitro-5-sulfamoylthiophen-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylic acid [1-(4-pyridylmethyl)-2-piperidyl]methyl ester Formula: C21H28N6O6S2 MolecularWeight: 524.61362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)COC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])CC4=CC=NC=C4

Isomeric SMILES

C1CCN(C(C1)COC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-])CC4=CC=NC=C4

InChI

InChI=1S/C21H28N6O6S2/c22-35(31,32)19-13-18(27(29)30)20(34-19)24-9-11-25(12-10-24)21(28)33-15-17-3-1-2-8-26(17)14-16-4-6-23-7-5-16/h4-7,13,17H,1-3,8-12,14-15H2,(H2,22,31,32)