methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[4-(4-methylpiperidino)sulfonylbenzoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(SC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C23H24N2O5S2/c1-15-11-13-25(14-12-15)32(28,29)17-9-7-16(8-10-17)22(26)24-20-18-5-3-4-6-19(18)31-21(20)23(27)30-2/h3-10,15H,11-14H2,1-2H3,(H,24,26)