4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-1-(phenylmethyl)indole

Systemtic Name: 4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-1-(phenylmethyl)indole Openeye Name: 1-benzyl-5-nitro-4-(p-tolylsulfonylmethyl)indole CAS Name: 4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-1-(phenylmethyl)indole IUPAC Name: 1-benzyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitroindole Traditional Name: 1-benzyl-5-nitro-4-(tosylmethyl)indole Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2C=CN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC3=C2C=CN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O4S/c1-17-7-9-19(10-8-17)30(28,29)16-21-20-13-14-24(15-18-5-3-2-4-6-18)22(20)11-12-23(21)25(26)27/h2-14H,15-16H2,1H3