N-[(2S)-butan-2-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-[(1S)-1-methylpropyl]-4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H28N4O3S/c1-3-17(2)23-29(27,28)20-6-4-19(5-7-20)21(26)25-14-12-24(13-15-25)16-18-8-10-22-11-9-18/h4-11,17,23H,3,12-16H2,1-2H3/t17-/m0/s1