1-[4-bromanyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-3-methyl-indole

Systemtic Name: 1-[4-bromanyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-3-methyl-indole Openeye Name: 1-[4-bromo-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-3-methyl-indole CAS Name: 1-[4-bromo-3-[(4-methyl-1-piperazinyl)methyl]phenyl]sulfonyl-5-methoxy-3-methylindole IUPAC Name: 1-[4-bromo-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-3-methylindole Traditional Name: 1-[4-bromo-3-[(4-methylpiperazino)methyl]phenyl]sulfonyl-5-methoxy-3-methyl-indole Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)Br)CN4CCN(CC4)C

Isomeric SMILES

CC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)Br)CN4CCN(CC4)C

InChI

InChI=1S/C22H26BrN3O3S/c1-16-14-26(22-7-4-18(29-3)13-20(16)22)30(27,28)19-5-6-21(23)17(12-19)15-25-10-8-24(2)9-11-25/h4-7,12-14H,8-11,15H2,1-3H3