(phenylmethyl) 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoate

Systemtic Name: (phenylmethyl) 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoate Openeye Name: benzyl 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoate CAS Name: 4-[1-(3-nitrophenyl)sulfonyl-3-indolyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoate Traditional Name: 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butyric acid benzyl ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O6S/c28-25(33-18-19-8-2-1-3-9-19)15-6-10-20-17-26(24-14-5-4-13-23(20)24)34(31,32)22-12-7-11-21(16-22)27(29)30/h1-5,7-9,11-14,16-17H,6,10,15,18H2