N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C21H26N2O3S2/c1-15-9-10-16(28(25,26)23-11-5-2-6-12-23)13-19(15)22-21(24)18-14-27-20-8-4-3-7-17(18)20/h9-10,13-14H,2-8,11-12H2,1H3,(H,22,24)