3-[2-morpholin-4-ylethyl-[4-(4-propan-2-yloxyphenyl)phenyl]sulfonyl-amino]-4-sulfanyl-butanamide

Systemtic Name: 3-[2-morpholin-4-ylethyl-[4-(4-propan-2-yloxyphenyl)phenyl]sulfonyl-amino]-4-sulfanyl-butanamide Openeye Name: 3-[[4-(4-isopropoxyphenyl)phenyl]sulfonyl-(2-morpholinoethyl)amino]-4-sulfanyl-butanamide CAS Name: 4-mercapto-3-[2-(4-morpholinyl)ethyl-[4-(4-propan-2-yloxyphenyl)phenyl]sulfonylamino]butanamide IUPAC Name: 3-[2-morpholin-4-ylethyl-[4-(4-propan-2-yloxyphenyl)phenyl]sulfonylamino]-4-sulfanylbutanamide Traditional Name: 3-[[4-(4-isopropoxyphenyl)phenyl]sulfonyl-(2-morpholinoethyl)amino]-4-mercapto-butyramide Formula: C25H35N3O5S2 MolecularWeight: 521.6925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)C(CC(=O)N)CS

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CCN3CCOCC3)C(CC(=O)N)CS

InChI

InChI=1S/C25H35N3O5S2/c1-19(2)33-23-7-3-20(4-8-23)21-5-9-24(10-6-21)35(30,31)28(22(18-34)17-25(26)29)12-11-27-13-15-32-16-14-27/h3-10,19,22,34H,11-18H2,1-2H3,(H2,26,29)