(1S,6R)-3,4-dimethyl-6-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-3,4-dimethyl-6-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-3,4-dimethyl-6-[(4-morpholinosulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-3,4-dimethyl-6-[[4-(4-morpholinylsulfonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-3,4-dimethyl-6-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-3,4-dimethyl-6-[(4-morpholinosulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H25N2O6S- MolecularWeight: 421.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)[O-])C

InChI

InChI=1S/C20H26N2O6S/c1-13-11-17(18(20(24)25)12-14(13)2)19(23)21-15-3-5-16(6-4-15)29(26,27)22-7-9-28-10-8-22/h3-6,17-18H,7-12H2,1-2H3,(H,21,23)(H,24,25)/p-1/t17-,18+/m1/s1