N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCCN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCCN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H29N3O3S2/c1-17-8-9-21(29-17)30(27,28)25-12-4-7-20(16-25)22(26)23-11-14-24-13-10-18-5-2-3-6-19(18)15-24/h2-3,5-6,8-9,20H,4,7,10-16H2,1H3,(H,23,26)