methyl 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-acetamidophenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-acetamidobenzyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C20H25N3O5S2/c1-15(24)21-17-6-4-16(5-7-17)14-22-9-3-10-23(12-11-22)30(26,27)18-8-13-29-19(18)20(25)28-2/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,24)