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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3-(dimethylamino)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[3-(dimethylamino)phenyl]methanone Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3S/c1-20(2)18-9-7-8-17(16-18)19(24)21-12-14-23(15-13-21)27(25,26)22-10-5-3-4-6-11-22/h7-9,16H,3-6,10-15H2,1-2H3