[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-isobutoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-isobutoxyphenyl)methanone Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-18(2)17-28-20-9-7-8-19(16-20)21(25)22-12-14-24(15-13-22)29(26,27)23-10-5-3-4-6-11-23/h7-9,16,18H,3-6,10-15,17H2,1-2H3