methyl 4-[[pentyl(phenylsulfonyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 4-[[pentyl(phenylsulfonyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[[benzenesulfonyl(pentyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[[[[benzenesulfonyl(pentyl)amino]-oxomethyl]amino]-oxomethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[[benzenesulfonyl(pentyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[[amyl(besyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C19H25N3O6S2 MolecularWeight: 455.5483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NC(=O)NC1=C(SCC1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCN(C(=O)NC(=O)NC1=C(SCC1)C(=O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3O6S2/c1-3-4-8-12-22(30(26,27)14-9-6-5-7-10-14)19(25)21-18(24)20-15-11-13-29-16(15)17(23)28-2/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H2,20,21,24,25)