2-[4-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(phenylmethyl)-propan-2-yl-amino]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[benzyl(isopropyl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[benzyl(isopropyl)amino]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H28N4O3S/c1-19(2)26(17-20-8-4-3-5-9-20)18-23(28)25-12-14-27(15-13-25)31(29,30)22-11-7-6-10-21(22)16-24/h3-11,19H,12-15,17-18H2,1-2H3