N-[2-(2-methylpropanoylamino)ethyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-1-naphthalen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-1-(2-naphthylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-(2-naphthalenylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-1-(2-naphthylsulfonyl)isonipecotamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H29N3O4S/c1-16(2)21(26)23-11-12-24-22(27)18-9-13-25(14-10-18)30(28,29)20-8-7-17-5-3-4-6-19(17)15-20/h3-8,15-16,18H,9-14H2,1-2H3,(H,23,26)(H,24,27)