1-[4-bromanyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole

Systemtic Name: 1-[4-bromanyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole Openeye Name: 1-[4-bromo-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole CAS Name: 1-[4-bromo-3-[(4-methyl-1-piperazinyl)methyl]phenyl]sulfonyl-3-methylindole IUPAC Name: 1-[4-bromo-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-3-methylindole Traditional Name: 1-[4-bromo-3-[(4-methylpiperazino)methyl]phenyl]sulfonyl-3-methyl-indole Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC(=C(C=C3)Br)CN4CCN(CC4)C

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC(=C(C=C3)Br)CN4CCN(CC4)C

InChI

InChI=1S/C21H24BrN3O2S/c1-16-14-25(21-6-4-3-5-19(16)21)28(26,27)18-7-8-20(22)17(13-18)15-24-11-9-23(2)10-12-24/h3-8,13-14H,9-12,15H2,1-2H3