N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(4S)-thiochroman-4-yl]butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(4S)-thiochroman-4-yl]butyramide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)N[C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C22H26N2O4S2/c1-16(25)17-9-11-18(12-10-17)30(27,28)24(2)14-5-8-22(26)23-20-13-15-29-21-7-4-3-6-19(20)21/h3-4,6-7,9-12,20H,5,8,13-15H2,1-2H3,(H,23,26)/t20-/m0/s1