(2S)-2-methyl-1-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-1-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-1-(benzenesulfonyl)-2-methyl-N-(3-pyridylmethyl)indoline-5-carboxamide CAS Name: (2S)-1-(benzenesulfonyl)-2-methyl-N-(3-pyridinylmethyl)-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-1-(benzenesulfonyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-besyl-2-methyl-N-(3-pyridylmethyl)indoline-5-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-16-12-19-13-18(22(26)24-15-17-6-5-11-23-14-17)9-10-21(19)25(16)29(27,28)20-7-3-2-4-8-20/h2-11,13-14,16H,12,15H2,1H3,(H,24,26)/t16-/m0/s1