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

Systemtic Name: 3-azanyl-N-[2-(cyclohexen-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-(1-piperidylsulfonyl)benzothiophene-2-carboxamide CAS Name: 3-amino-N-[2-(1-cyclohexenyl)ethyl]-5-(1-piperidinylsulfonyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-piperidinosulfonyl-benzothiophene-2-carboxamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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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=CCCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(=C3N)C(=O)NCCC4=CCCCC4

InChI

InChI=1S/C22H29N3O3S2/c23-20-18-15-17(30(27,28)25-13-5-2-6-14-25)9-10-19(18)29-21(20)22(26)24-12-11-16-7-3-1-4-8-16/h7,9-10,15H,1-6,8,11-14,23H2,(H,24,26)