(3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-5-phenyl-1,4-thiazepane-3-carboxamide

Systemtic Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-N-oxidanyl-5-phenyl-1,4-thiazepane-3-carboxamide Openeye Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-5-phenyl-1,4-thiazepane-3-carbohydroxamic acid CAS Name: (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-5-phenyl-1,4-thiazepane-3-carboxamide IUPAC Name: (3S)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-5-phenyl-1,4-thiazepane-3-carboxamide Traditional Name: (3S)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-5-phenyl-1,4-thiazepane-3-carbohydroxamic acid Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(CCS1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO)C

Isomeric SMILES

CC1([C@@H](N(C(CCS1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO)C

InChI

InChI=1S/C21H26N2O5S2/c1-21(2)19(20(24)22-25)23(18(13-14-29-21)15-7-5-4-6-8-15)30(26,27)17-11-9-16(28-3)10-12-17/h4-12,18-19,25H,13-14H2,1-3H3,(H,22,24)/t18?,19-/m0/s1