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

Systemtic Name: 5-[(4-butylphenyl)amino]-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 5-(4-butylanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 5-(4-butylanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 5-(4-butylanilino)-2,2,4-trimethyl-3-(4-phenylphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 5-(4-butylanilino)-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:

CCCCC1=CC=C(C=C1)NC2CSC(C(N2C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2CSC(C(N2C)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C30H36N2O4S2/c1-5-6-10-22-13-17-25(18-14-22)31-27-21-37-29(2,3)30(28(33)34,32(27)4)38(35,36)26-19-15-24(16-20-26)23-11-8-7-9-12-23/h7-9,11-20,27,31H,5-6,10,21H2,1-4H3,(H,33,34)