3-azanyl-N-[2-(4-chlorophenyl)ethyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-azanyl-N-[2-(4-chlorophenyl)ethyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-(1-piperidylsulfonyl)benzothiophene-2-carboxamide CAS Name: 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-(1-piperidinylsulfonyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-N-[2-(4-chlorophenyl)ethyl]-5-piperidinosulfonyl-benzothiophene-2-carboxamide Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(=C3N)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(=C3N)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O3S2/c23-16-6-4-15(5-7-16)10-11-25-22(27)21-20(24)18-14-17(8-9-19(18)30-21)31(28,29)26-12-2-1-3-13-26/h4-9,14H,1-3,10-13,24H2,(H,25,27)