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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophene-3-carboxamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-thiophenecarboxamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methylthiophene-3-carboxamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-5-piperonyl-thiophene-3-carboxamide Formula: C27H29N3O6S2 MolecularWeight: 555.66566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O6S2/c1-17-23(15-18-6-11-21-22(14-18)36-16-35-21)37-27(24(17)25(28)31)29-26(32)19-7-9-20(10-8-19)38(33,34)30-12-4-2-3-5-13-30/h6-11,14H,2-5,12-13,15-16H2,1H3,(H2,28,31)(H,29,32)