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

Systemtic Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylate CAS Name: (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-4-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C15H21NO5S2 MolecularWeight: 359.46094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S2/c1-15(14(17)21-3)11-22-10-4-9-16(15)23(18,19)13-7-5-12(20-2)6-8-13/h5-8H,4,9-11H2,1-3H3/t15-/m1/s1