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

Systemtic Name: N-[(2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-2-[4-(azepan-1-ylsulfonyl)piperazino]-2-keto-1-methyl-ethyl]-4-methyl-benzenesulfonamide Formula: C20H32N4O5S2 MolecularWeight: 472.62188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H32N4O5S2/c1-17-7-9-19(10-8-17)30(26,27)21-18(2)20(25)22-13-15-24(16-14-22)31(28,29)23-11-5-3-4-6-12-23/h7-10,18,21H,3-6,11-16H2,1-2H3/t18-/m0/s1