2-azanyl-4-(chloromethyl)-4-(4-methylphenyl)sulfonyl-1-phenyl-nonadecane-3,5-dione

Systemtic Name: 2-azanyl-4-(chloromethyl)-4-(4-methylphenyl)sulfonyl-1-phenyl-nonadecane-3,5-dione Openeye Name: 2-amino-4-(chloromethyl)-1-phenyl-4-(p-tolylsulfonyl)nonadecane-3,5-dione CAS Name: 2-amino-4-(chloromethyl)-4-(4-methylphenyl)sulfonyl-1-phenylnonadecane-3,5-dione IUPAC Name: 2-amino-4-(chloromethyl)-4-(4-methylphenyl)sulfonyl-1-phenylnonadecane-3,5-dione Traditional Name: 2-amino-4-(chloromethyl)-1-phenyl-4-tosyl-nonadecane-3,5-dione Formula: C33H48ClNO4S MolecularWeight: 590.25652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)C(CCl)(C(=O)C(CC1=CC=CC=C1)N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)C(CCl)(C(=O)C(CC1=CC=CC=C1)N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C33H48ClNO4S/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(36)33(26-34,40(38,39)29-23-21-27(2)22-24-29)32(37)30(35)25-28-18-15-14-16-19-28/h14-16,18-19,21-24,30H,3-13,17,20,25-26,35H2,1-2H3