2-[4-(4-chlorophenyl)sulfanyl-5-methylsulfonyl-7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanyl-5-methylsulfonyl-7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate Openeye Name: 2-[7-benzyloxy-4-(4-chlorophenyl)sulfanyl-5-methylsulfonyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate CAS Name: 2-[4-[(4-chlorophenyl)thio]-5-methylsulfonyl-7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate IUPAC Name: 2-[4-(4-chlorophenyl)sulfanyl-5-methylsulfonyl-7-phenylmethoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]propanoate Traditional Name: 2-[7-benzoxy-4-[(4-chlorophenyl)thio]-5-mesyl-2,3-dihydro-1H-pyrrol[1,2-a]indol-3-yl]propionate Formula: C28H25ClNO5S2- MolecularWeight: 555.0848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN2C1=C(C3=C(C=C(C=C32)OCC4=CC=CC=C4)S(=O)(=O)C)SC5=CC=C(C=C5)Cl)C(=O)[O-]

Isomeric SMILES

CC(C1CCN2C1=C(C3=C(C=C(C=C32)OCC4=CC=CC=C4)S(=O)(=O)C)SC5=CC=C(C=C5)Cl)C(=O)[O-]

InChI

InChI=1S/C28H26ClNO5S2/c1-17(28(31)32)22-12-13-30-23-14-20(35-16-18-6-4-3-5-7-18)15-24(37(2,33)34)25(23)27(26(22)30)36-21-10-8-19(29)9-11-21/h3-11,14-15,17,22H,12-13,16H2,1-2H3,(H,31,32)/p-1