[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)methanone Openeye Name: (1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone Traditional Name: (1-methyl-4-pyrrolidinosulfonyl-pyrrol-2-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H30N4O5S2 MolecularWeight: 494.6274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CN3C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H30N4O5S2/c1-18-6-8-19(9-7-18)32(28,29)26-13-5-10-24(14-15-26)22(27)21-16-20(17-23(21)2)33(30,31)25-11-3-4-12-25/h6-9,16-17H,3-5,10-15H2,1-2H3