7-(2,6-dimethylphenyl)-5-methyl-N-[3-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine

Systemtic Name: 7-(2,6-dimethylphenyl)-5-methyl-N-[3-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine Openeye Name: 7-(2,6-dimethylphenyl)-5-methyl-N-[3-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine CAS Name: 7-(2,6-dimethylphenyl)-5-methyl-N-[3-[3-(1-pyrrolidinyl)propylsulfonyl]phenyl]-1,2,4-benzotriazin-3-amine IUPAC Name: 7-(2,6-dimethylphenyl)-5-methyl-N-[3-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]-1,2,4-benzotriazin-3-amine Traditional Name: [7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]-[3-(3-pyrrolidinopropylsulfonyl)phenyl]amine Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)CCCN5CCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC(=C3C(=C2)N=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)CCCN5CCCC5)C

InChI

InChI=1S/C29H33N5O2S/c1-20-9-6-10-21(2)27(20)23-17-22(3)28-26(18-23)32-33-29(31-28)30-24-11-7-12-25(19-24)37(35,36)16-8-15-34-13-4-5-14-34/h6-7,9-12,17-19H,4-5,8,13-16H2,1-3H3,(H,30,31,33)