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

Systemtic Name: [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-2-yl]methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: [1-[(2-methoxy-1-naphthyl)methyl]-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-[(2-methoxy-1-naphthalenyl)methyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[(2-methoxynaphthalen-1-yl)methyl]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-[(2-methoxy-1-naphthyl)methyl]-2-piperidyl]methyl ester Formula: C27H33N5O7S2 MolecularWeight: 603.71022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)CN3CCCCC3COC(=O)N4CCN(CC4)C5=C(C=C(S5)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)CN3CCCCC3COC(=O)N4CCN(CC4)C5=C(C=C(S5)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C27H33N5O7S2/c1-38-24-10-9-19-6-2-3-8-21(19)22(24)17-31-11-5-4-7-20(31)18-39-27(33)30-14-12-29(13-15-30)26-23(32(34)35)16-25(40-26)41(28,36)37/h2-3,6,8-10,16,20H,4-5,7,11-15,17-18H2,1H3,(H2,28,36,37)