tert-butyl N-naphthalen-2-yl-N-[1-[[(E)-1-naphthalen-2-ylsulfonyl-5-phenyl-pent-1-en-3-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-naphthalen-2-yl-N-[1-[[(E)-1-naphthalen-2-ylsulfonyl-5-phenyl-pent-1-en-3-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-methyl-2-[[(E)-3-(2-naphthylsulfonyl)-1-phenethyl-allyl]amino]-2-oxo-ethyl]-N-(2-naphthyl)carbamate CAS Name: N-(2-naphthalenyl)-N-[1-[[(E)-1-(2-naphthalenylsulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-naphthalen-2-yl-N-[1-[[(E)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-keto-1-methyl-2-[[(E)-3-(2-naphthylsulfonyl)-1-phenethyl-allyl]amino]ethyl]-N-(2-naphthyl)carbamic acid tert-butyl ester Formula: C39H40N2O5S MolecularWeight: 648.8103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC1=CC=CC=C1)C=CS(=O)(=O)C2=CC3=CC=CC=C3C=C2)N(C4=CC5=CC=CC=C5C=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC(CCC1=CC=CC=C1)/C=C/S(=O)(=O)C2=CC3=CC=CC=C3C=C2)N(C4=CC5=CC=CC=C5C=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H40N2O5S/c1-28(41(38(43)46-39(2,3)4)35-22-19-30-14-8-10-16-32(30)26-35)37(42)40-34(21-18-29-12-6-5-7-13-29)24-25-47(44,45)36-23-20-31-15-9-11-17-33(31)27-36/h5-17,19-20,22-28,34H,18,21H2,1-4H3,(H,40,42)/b25-24+