6-chloranyl-1-methyl-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]indole-3-carbonitrile

Systemtic Name: 6-chloranyl-1-methyl-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]indole-3-carbonitrile Openeye Name: 6-chloro-1-methyl-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridyl]indole-3-carbonitrile CAS Name: 6-chloro-1-methyl-2-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-3-pyridinyl]-3-indolecarbonitrile IUPAC Name: 6-chloro-1-methyl-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]indole-3-carbonitrile Traditional Name: 6-chloro-2-[5-[(4-mesylpiperazino)methyl]-3-pyridyl]-1-methyl-indole-3-carbonitrile Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C(=C1C3=CC(=CN=C3)CN4CCN(CC4)S(=O)(=O)C)C#N

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C(=C1C3=CC(=CN=C3)CN4CCN(CC4)S(=O)(=O)C)C#N

InChI

InChI=1S/C21H22ClN5O2S/c1-25-20-10-17(22)3-4-18(20)19(11-23)21(25)16-9-15(12-24-13-16)14-26-5-7-27(8-6-26)30(2,28)29/h3-4,9-10,12-13H,5-8,14H2,1-2H3