3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1-(phenylsulfonyl)indole

Systemtic Name: 3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-indole CAS Name: 1-(benzenesulfonyl)-3-[(4-methyl-1-piperazinyl)methyl]-5-nitroindole IUPAC Name: 1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]-5-nitroindole Traditional Name: 1-besyl-3-[(4-methylpiperazino)methyl]-5-nitro-indole Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O4S/c1-21-9-11-22(12-10-21)14-16-15-23(29(27,28)18-5-3-2-4-6-18)20-8-7-17(24(25)26)13-19(16)20/h2-8,13,15H,9-12,14H2,1H3