methyl 3-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepan-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepan-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[(1-ethyl-5-indolyl)sulfonyl]-1,4-diazepan-1-yl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(1-ethylindol-5-yl)sulfonyl-1,4-diazepane-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=C(SC=C4)C(=O)OC

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=C(SC=C4)C(=O)OC

InChI

InChI=1S/C22H26N4O5S2/c1-3-24-11-7-16-15-17(5-6-19(16)24)33(29,30)26-10-4-9-25(12-13-26)22(28)23-18-8-14-32-20(18)21(27)31-2/h5-8,11,14-15H,3-4,9-10,12-13H2,1-2H3,(H,23,28)