methyl 3-azanyl-5-(cyclohexylamino)-4-(4-methylphenyl)sulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-(cyclohexylamino)-4-(4-methylphenyl)sulfonyl-thiophene-2-carboxylate Openeye Name: methyl 3-amino-5-(cyclohexylamino)-4-(p-tolylsulfonyl)thiophene-2-carboxylate CAS Name: 3-amino-5-(cyclohexylamino)-4-(4-methylphenyl)sulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-(cyclohexylamino)-4-(4-methylphenyl)sulfonylthiophene-2-carboxylate Traditional Name: 3-amino-5-(cyclohexylamino)-4-tosyl-thiophene-2-carboxylic acid methyl ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=C2N)C(=O)OC)NC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=C2N)C(=O)OC)NC3CCCCC3

InChI

InChI=1S/C19H24N2O4S2/c1-12-8-10-14(11-9-12)27(23,24)17-15(20)16(19(22)25-2)26-18(17)21-13-6-4-3-5-7-13/h8-11,13,21H,3-7,20H2,1-2H3