methyl 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C24H30N2O5S2/c1-16-11-12-17(33(29,30)26-13-7-3-4-8-14-26)15-19(16)22(27)25-23-21(24(28)31-2)18-9-5-6-10-20(18)32-23/h11-12,15H,3-10,13-14H2,1-2H3,(H,25,27)