N-(3-methylbutyl)-1-(1,3,3-trimethyl-2-oxidanylidene-indol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-(1,3,3-trimethyl-2-oxidanylidene-indol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-isopentyl-1-(1,3,3-trimethyl-2-oxo-indolin-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(3-methylbutyl)-1-[(1,3,3-trimethyl-2-oxo-5-indolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-isoamyl-1-(2-keto-1,3,3-trimethyl-indolin-5-yl)sulfonyl-nipecotamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C

Isomeric SMILES

CC(C)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)C

InChI

InChI=1S/C22H33N3O4S/c1-15(2)10-11-23-20(26)16-7-6-12-25(14-16)30(28,29)17-8-9-19-18(13-17)22(3,4)21(27)24(19)5/h8-9,13,15-16H,6-7,10-12,14H2,1-5H3,(H,23,26)