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

Systemtic Name: N-[(2R)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylamino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1R)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylcarbamoyl]butyl]benzothiophene-2-carboxamide CAS Name: N-[(2R)-1-[[4-(2-cyanophenyl)sulfonyl-2-morpholinyl]methylamino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2R)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylamino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1R)-1-[[4-(2-cyanophenyl)sulfonylmorpholin-2-yl]methylcarbamoyl]butyl]benzothiophene-2-carboxamide Formula: C26H28N4O5S2 MolecularWeight: 540.65432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O5S2/c1-2-7-21(29-26(32)23-14-18-8-3-5-10-22(18)36-23)25(31)28-16-20-17-30(12-13-35-20)37(33,34)24-11-6-4-9-19(24)15-27/h3-6,8-11,14,20-21H,2,7,12-13,16-17H2,1H3,(H,28,31)(H,29,32)/t20?,21-/m1/s1