N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(2-imidazol-1-ylethyl)-1-tetralin-6-ylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-imidazolyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(2-imidazol-1-ylethyl)-1-tetralin-6-ylsulfonyl-isonipecotamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCN4C=CN=C4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCN4C=CN=C4

InChI

InChI=1S/C21H28N4O3S/c26-21(23-10-14-24-13-9-22-16-24)18-7-11-25(12-8-18)29(27,28)20-6-5-17-3-1-2-4-19(17)15-20/h5-6,9,13,15-16,18H,1-4,7-8,10-12,14H2,(H,23,26)