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

Systemtic Name: 3-azanyl-N-[(4-methylphenyl)methyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-5-(1-piperidylsulfonyl)-N-(p-tolylmethyl)benzothiophene-2-carboxamide CAS Name: 3-amino-N-[(4-methylphenyl)methyl]-5-(1-piperidinylsulfonyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-N-[(4-methylphenyl)methyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-N-(4-methylbenzyl)-5-piperidinosulfonyl-benzothiophene-2-carboxamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)C=CC(=C3)S(=O)(=O)N4CCCCC4)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)C=CC(=C3)S(=O)(=O)N4CCCCC4)N

InChI

InChI=1S/C22H25N3O3S2/c1-15-5-7-16(8-6-15)14-24-22(26)21-20(23)18-13-17(9-10-19(18)29-21)30(27,28)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14,23H2,1H3,(H,24,26)