3-cyano-N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)ethanoyl]amino]piperidin-1-yl]-1-phenyl-propyl]benzamide hydrochloride

Systemtic Name: 3-cyano-N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)ethanoyl]amino]piperidin-1-yl]-1-phenyl-propyl]benzamide hydrochloride Openeye Name: 3-cyano-N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]-1-piperidyl]-1-phenyl-propyl]benzamide hydrochloride CAS Name: 3-cyano-N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1-piperidinyl]-1-phenylpropyl]benzamide hydrochloride IUPAC Name: 3-cyano-N-[(1S)-3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]benzamide hydrochloride Traditional Name: 3-cyano-N-[(1S)-3-[4-[ethyl-[2-(4-mesylphenyl)acetyl]amino]piperidino]-1-phenyl-propyl]benzamide hydrochloride Formula: C33H39ClN4O4S MolecularWeight: 623.20516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C#N)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C.Cl

Isomeric SMILES

CCN(C1CCN(CC1)CC[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C#N)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C.Cl

InChI

InChI=1S/C33H38N4O4S.ClH/c1-3-37(32(38)23-25-12-14-30(15-13-25)42(2,40)41)29-16-19-36(20-17-29)21-18-31(27-9-5-4-6-10-27)35-33(39)28-11-7-8-26(22-28)24-34;/h4-15,22,29,31H,3,16-21,23H2,1-2H3,(H,35,39);1H/t31-;/m0./s1