(3S)-N-methoxy-2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide

Systemtic Name: (3S)-N-methoxy-2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide Openeye Name: (3S)-N-methoxy-2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide CAS Name: (3S)-N-methoxy-2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide IUPAC Name: (3S)-N-methoxy-2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide Traditional Name: (3S)-N-methoxy-2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NOC)C

Isomeric SMILES

CC1([C@@H](N(CCCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NOC)C

InChI

InChI=1S/C21H26N2O5S2/c1-21(2)19(20(24)22-27-3)23(14-7-15-29-21)30(25,26)18-12-10-17(11-13-18)28-16-8-5-4-6-9-16/h4-6,8-13,19H,7,14-15H2,1-3H3,(H,22,24)/t19-/m0/s1