[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-isopropylsulfonylphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(4-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4-isopropylsulfonylphenyl)methanone Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S2/c1-17(2)29(25,26)19-9-7-18(8-10-19)20(24)21-13-15-23(16-14-21)30(27,28)22-11-5-3-4-6-12-22/h7-10,17H,3-6,11-16H2,1-2H3