methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C28H30N2O7S2 MolecularWeight: 570.677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H30N2O7S2/c1-18-24(16-19-7-12-22-23(15-19)37-17-36-22)38-27(25(18)28(32)35-2)29-26(31)20-8-10-21(11-9-20)39(33,34)30-13-5-3-4-6-14-30/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,29,31)