ethyl 3-azanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzothiophene-2-carboxylate CAS Name: 3-amino-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-5-(3,5-dimethylpiperidino)sulfonyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)N

InChI

InChI=1S/C18H24N2O4S2/c1-4-24-18(21)17-16(19)14-8-13(5-6-15(14)25-17)26(22,23)20-9-11(2)7-12(3)10-20/h5-6,8,11-12H,4,7,9-10,19H2,1-3H3