1-[4-chloranyl-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole

Systemtic Name: 1-[4-chloranyl-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole Openeye Name: 1-[4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole CAS Name: 1-[4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methylindole IUPAC Name: 1-[4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methylindole Traditional Name: 1-[4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC(=C(C=C3)Cl)CN4CCCN(CC4)C

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC(=C(C=C3)Cl)CN4CCCN(CC4)C

InChI

InChI=1S/C22H26ClN3O2S/c1-17-15-26(22-7-4-3-6-20(17)22)29(27,28)19-8-9-21(23)18(14-19)16-25-11-5-10-24(2)12-13-25/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3