(3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylic acid

Systemtic Name: (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylic acid Openeye Name: (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylic acid CAS Name: (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylic acid IUPAC Name: (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylic acid Traditional Name: (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylic acid Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

C[C@@]1(CSCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C14H19NO5S2/c1-14(13(16)17)10-21-9-3-8-15(14)22(18,19)12-6-4-11(20-2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,17)/t14-/m1/s1