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

Systemtic Name: N-phenethyl-1-(1,3,3-trimethyl-2-oxidanylidene-indol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-phenethyl-1-(1,3,3-trimethyl-2-oxo-indolin-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-phenethyl-1-[(1,3,3-trimethyl-2-oxo-5-indolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-phenethyl-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: 1-(2-keto-1,3,3-trimethyl-indolin-5-yl)sulfonyl-N-phenethyl-nipecotamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCCC4=CC=CC=C4)N(C1=O)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCCC4=CC=CC=C4)N(C1=O)C)C

InChI

InChI=1S/C25H31N3O4S/c1-25(2)21-16-20(11-12-22(21)27(3)24(25)30)33(31,32)28-15-7-10-19(17-28)23(29)26-14-13-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,19H,7,10,13-15,17H2,1-3H3,(H,26,29)