methyl (NZ)-N-[[[2-acetamido-4-(phenylsulfonyl)phenyl]-propanoyl-amino]-azanyl-methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[[[2-acetamido-4-(phenylsulfonyl)phenyl]-propanoyl-amino]-azanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[2-acetamido-4-(benzenesulfonyl)-N-propanoyl-anilino]-amino-methylene]carbamate CAS Name: (NZ)-N-[[2-acetamido-4-(benzenesulfonyl)-N-(1-oxopropyl)anilino]-aminomethylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[2-acetamido-4-(benzenesulfonyl)-N-propanoylanilino]-aminomethylidene]carbamate Traditional Name: (NZ)-N-[(2-acetamido-4-besyl-N-propionyl-anilino)-amino-methylene]carbamic acid methyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C)C(=NC(=O)OC)N

Isomeric SMILES

CCC(=O)N(C1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C20H22N4O6S/c1-4-18(26)24(19(21)23-20(27)30-3)17-11-10-15(12-16(17)22-13(2)25)31(28,29)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,22,25)(H2,21,23,27)