[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H27N5O3S/c1-20-7-13-23(14-8-20)35(33,34)30-16-4-15-29(17-18-30)26(32)22-11-9-21(10-12-22)19-31-25-6-3-2-5-24(25)27-28-31/h2-3,5-14H,4,15-19H2,1H3