N-[(2R)-1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-methylsulfonyl-pyrrolidine-2-carboxamide hydrochloride

Systemtic Name: N-[(2R)-1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-1-methylsulfonyl-pyrrolidine-2-carboxamide hydrochloride Openeye Name: N-[(1R)-2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]-1-methylsulfonyl-pyrrolidine-2-carboxamide hydrochloride CAS Name: N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-1-methylsulfonyl-2-pyrrolidinecarboxamide hydrochloride IUPAC Name: N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide hydrochloride Traditional Name: N-[(1R)-2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]-1-mesyl-pyrrolidine-2-carboxamide hydrochloride Formula: C22H31ClN4O5S MolecularWeight: 499.02334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O.Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC1C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O.Cl

InChI

InChI=1S/C22H30N4O5S.ClH/c1-32(30,31)26-10-4-7-20(26)22(29)25-19(21(28)24-14-18(27)13-23)12-15-8-9-16-5-2-3-6-17(16)11-15;/h2-3,5-6,8-9,11,18-20,27H,4,7,10,12-14,23H2,1H3,(H,24,28)(H,25,29);1H/t18?,19-,20?;/m1./s1