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

Systemtic Name: [1-[(2-tert-butylsulfanylphenyl)methyl]piperidin-3-yl]methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: [1-[(2-tert-butylsulfanylphenyl)methyl]-3-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-[[2-(tert-butylthio)phenyl]methyl]-3-piperidinyl]methyl ester IUPAC Name: [1-[(2-tert-butylsulfanylphenyl)methyl]piperidin-3-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-[2-(tert-butylthio)benzyl]-3-piperidyl]methyl ester Formula: C26H37N5O6S3 MolecularWeight: 611.79688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCCC(C2)COC(=O)N3CCN(CC3)C4=C(C=C(S4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCCC(C2)COC(=O)N3CCN(CC3)C4=C(C=C(S4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C26H37N5O6S3/c1-26(2,3)39-22-9-5-4-8-20(22)17-28-10-6-7-19(16-28)18-37-25(32)30-13-11-29(12-14-30)24-21(31(33)34)15-23(38-24)40(27,35)36/h4-5,8-9,15,19H,6-7,10-14,16-18H2,1-3H3,(H2,27,35,36)