3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1-(4-propan-2-ylphenyl)sulfonyl-indole

Systemtic Name: 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1-(4-propan-2-ylphenyl)sulfonyl-indole Openeye Name: 1-(4-isopropylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-indole CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-5-nitro-1-(4-propan-2-ylphenyl)sulfonylindole IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1-(4-propan-2-ylphenyl)sulfonylindole Traditional Name: 3-[(4-methylpiperazino)methyl]-5-nitro-1-p-cumenylsulfonyl-indole Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])CN4CCN(CC4)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])CN4CCN(CC4)C

InChI

InChI=1S/C23H28N4O4S/c1-17(2)18-4-7-21(8-5-18)32(30,31)26-16-19(15-25-12-10-24(3)11-13-25)22-14-20(27(28)29)6-9-23(22)26/h4-9,14,16-17H,10-13,15H2,1-3H3