3-[4-(2-azanyl-1-phenyl-propan-2-yl)-1,2,3-triazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methylsulfonyl(propyl)amino]benzamide

Systemtic Name: 3-[4-(2-azanyl-1-phenyl-propan-2-yl)-1,2,3-triazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methylsulfonyl(propyl)amino]benzamide Openeye Name: 3-[4-(1-amino-1-methyl-2-phenyl-ethyl)triazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methylsulfonyl(propyl)amino]benzamide CAS Name: 3-[4-(2-amino-1-phenylpropan-2-yl)-1-triazolyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methylsulfonyl(propyl)amino]benzamide IUPAC Name: 3-[4-(2-amino-1-phenylpropan-2-yl)triazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methylsulfonyl(propyl)amino]benzamide Traditional Name: 3-[4-(1-amino-1-methyl-2-phenyl-ethyl)triazol-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[mesyl(propyl)amino]benzamide Formula: C30H35FN6O3S MolecularWeight: 578.700703

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=CC(=C1)N2C=C(N=N2)C(C)(CC3=CC=CC=C3)N)C(=O)NC(C)C4=CC=C(C=C4)F)S(=O)(=O)C

Isomeric SMILES

CCCN(C1=CC(=CC(=C1)N2C=C(N=N2)C(C)(CC3=CC=CC=C3)N)C(=O)N[C@H](C)C4=CC=C(C=C4)F)S(=O)(=O)C

InChI

InChI=1S/C30H35FN6O3S/c1-5-15-37(41(4,39)40)27-17-24(29(38)33-21(2)23-11-13-25(31)14-12-23)16-26(18-27)36-20-28(34-35-36)30(3,32)19-22-9-7-6-8-10-22/h6-14,16-18,20-21H,5,15,19,32H2,1-4H3,(H,33,38)/t21-,30?/m1/s1