N-[(2S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[(2S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-methyl-indole-2-carboxamide Openeye Name: N-[(1S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylcarbamoyl]-3-methyl-butyl]-1-methyl-indole-2-carboxamide CAS Name: N-[(2S)-1-[[4-(2-cyanophenyl)sulfonyl-2-morpholinyl]methylamino]-4-methyl-1-oxopentan-2-yl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[(2S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylamino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide Traditional Name: N-[(1S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylcarbamoyl]-3-methyl-butyl]-1-methyl-indole-2-carboxamide Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1CN(CCO1)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4N3C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1CN(CCO1)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4N3C

InChI

InChI=1S/C28H33N5O5S/c1-19(2)14-23(31-28(35)25-15-20-8-4-6-10-24(20)32(25)3)27(34)30-17-22-18-33(12-13-38-22)39(36,37)26-11-7-5-9-21(26)16-29/h4-11,15,19,22-23H,12-14,17-18H2,1-3H3,(H,30,34)(H,31,35)/t22?,23-/m0/s1