2,2,4-trimethyl-5-[(phenylmethyl)-propan-2-yl-amino]-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2,4-trimethyl-5-[(phenylmethyl)-propan-2-yl-amino]-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 5-[benzyl(isopropyl)amino]-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2,4-trimethyl-5-[(phenylmethyl)-propan-2-ylamino]-3-(4-phenylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 5-[benzyl(propan-2-yl)amino]-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 5-[benzyl(isopropyl)amino]-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C30H36N2O4S2 MolecularWeight: 552.74784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C2CSC(C(N2C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C2CSC(C(N2C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C30H36N2O4S2/c1-22(2)32(20-23-12-8-6-9-13-23)27-21-37-29(3,4)30(28(33)34,31(27)5)38(35,36)26-18-16-25(17-19-26)24-14-10-7-11-15-24/h6-19,22,27H,20-21H2,1-5H3,(H,33,34)