N-[(2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]benzenesulfonamide

Systemtic Name: N-[(2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]benzenesulfonamide CAS Name: N-[(2S)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide IUPAC Name: N-[(2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide Traditional Name: N-[(1S)-1-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]benzenesulfonamide Formula: C21H34N4O5S2 MolecularWeight: 486.64846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)N2CCCCCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H34N4O5S2/c1-18(2)20(22-31(27,28)19-10-6-5-7-11-19)21(26)23-14-16-25(17-15-23)32(29,30)24-12-8-3-4-9-13-24/h5-7,10-11,18,20,22H,3-4,8-9,12-17H2,1-2H3/t20-/m0/s1