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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-indole Openeye Name: 1-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitro-indole CAS Name: 1-(4-bromophenyl)sulfonyl-3-[(4-methyl-1-piperazinyl)methyl]-5-nitroindole IUPAC Name: 1-(4-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitroindole Traditional Name: 1-brosyl-3-[(4-methylpiperazino)methyl]-5-nitro-indole Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O4S/c1-22-8-10-23(11-9-22)13-15-14-24(20-7-4-17(25(26)27)12-19(15)20)30(28,29)18-5-2-16(21)3-6-18/h2-7,12,14H,8-11,13H2,1H3