[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]-(4-methylphenyl)methanone

Systemtic Name: [2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]-(4-methylphenyl)methanone Openeye Name: [2-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]-(p-tolyl)methanone CAS Name: [2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]-(4-methylphenyl)methanone IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone Traditional Name: [2-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]-(p-tolyl)methanone Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-20-10-12-21(13-11-20)24(29)22-8-4-5-9-23(22)25(30)26-16-18-28(19-17-26)33(31,32)27-14-6-2-3-7-15-27/h4-5,8-13H,2-3,6-7,14-19H2,1H3