(phenylmethyl) 2-[6-chloranyl-9-(4-octylphenyl)sulfonyl-carbazol-2-yl]propanoate

Systemtic Name: (phenylmethyl) 2-[6-chloranyl-9-(4-octylphenyl)sulfonyl-carbazol-2-yl]propanoate Openeye Name: benzyl 2-[6-chloro-9-(4-octylphenyl)sulfonyl-carbazol-2-yl]propanoate CAS Name: 2-[6-chloro-9-(4-octylphenyl)sulfonyl-2-carbazolyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-chloro-9-(4-octylphenyl)sulfonylcarbazol-2-yl]propanoate Traditional Name: 2-[6-chloro-9-(4-octylphenyl)sulfonyl-carbazol-2-yl]propionic acid benzyl ester Formula: C36H38ClNO4S MolecularWeight: 616.20922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C4=C2C=C(C=C4)C(C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C4=C2C=C(C=C4)C(C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H38ClNO4S/c1-3-4-5-6-7-9-12-27-15-19-31(20-16-27)43(40,41)38-34-22-18-30(37)24-33(34)32-21-17-29(23-35(32)38)26(2)36(39)42-25-28-13-10-8-11-14-28/h8,10-11,13-24,26H,3-7,9,12,25H2,1-2H3