methyl 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2-naphthylsulfonyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O5S2/c1-29-20(25)19-18(8-13-30-19)22-21(26)23-9-11-24(12-10-23)31(27,28)17-7-6-15-4-2-3-5-16(15)14-17/h2-8,13-14H,9-12H2,1H3,(H,22,26)