N-[(2S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylamino]-1-oxidanylidene-hexan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylamino]-1-oxidanylidene-hexan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylcarbamoyl]pentyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[[4-(2-cyanophenyl)sulfonyl-2-morpholinyl]methylamino]-1-oxohexan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylamino]-1-oxohexan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylcarbamoyl]pentyl]benzothiophene-2-carboxamide Formula: C27H30N4O5S2 MolecularWeight: 554.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1CN(CCO1)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCCC[C@@H](C(=O)NCC1CN(CCO1)S(=O)(=O)C2=CC=CC=C2C#N)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C27H30N4O5S2/c1-2-3-10-22(30-27(33)24-15-19-8-4-6-11-23(19)37-24)26(32)29-17-21-18-31(13-14-36-21)38(34,35)25-12-7-5-9-20(25)16-28/h4-9,11-12,15,21-22H,2-3,10,13-14,17-18H2,1H3,(H,29,32)(H,30,33)/t21?,22-/m0/s1