1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-indan-5-yl-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-indan-5-yl-4-(4-tosyl-1,4-diazepan-1-yl)butane-1,4-dione Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C25H30N2O4S/c1-19-6-10-23(11-7-19)32(30,31)27-15-3-14-26(16-17-27)25(29)13-12-24(28)22-9-8-20-4-2-5-21(20)18-22/h6-11,18H,2-5,12-17H2,1H3