7-methyl-N9,N9-di(propan-2-yl)-5-(3-propylsulfonylphenyl)-3H-1,4-benzodiazepine-2,9-diamine

Systemtic Name: 7-methyl-N9,N9-di(propan-2-yl)-5-(3-propylsulfonylphenyl)-3H-1,4-benzodiazepine-2,9-diamine Openeye Name: N9,N9-diisopropyl-7-methyl-5-(3-propylsulfonylphenyl)-3H-1,4-benzodiazepine-2,9-diamine CAS Name: 7-methyl-N9,N9-di(propan-2-yl)-5-(3-propylsulfonylphenyl)-3H-1,4-benzodiazepine-2,9-diamine IUPAC Name: 7-methyl-9-N,9-N-di(propan-2-yl)-5-(3-propylsulfonylphenyl)-3H-1,4-benzodiazepine-2,9-diamine Traditional Name: [2-amino-7-methyl-5-(3-propylsulfonylphenyl)-3H-1,4-benzodiazepin-9-yl]-diisopropyl-amine Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC(=C1)C2=NCC(=NC3=C(C=C(C=C32)C)N(C(C)C)C(C)C)N

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC(=C1)C2=NCC(=NC3=C(C=C(C=C32)C)N(C(C)C)C(C)C)N

InChI

InChI=1S/C25H34N4O2S/c1-7-11-32(30,31)20-10-8-9-19(14-20)24-21-12-18(6)13-22(29(16(2)3)17(4)5)25(21)28-23(26)15-27-24/h8-10,12-14,16-17H,7,11,15H2,1-6H3,(H2,26,28)