tert-butyl N-[(E,3S)-7-azanyl-1-(phenylsulfonyl)hept-1-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3S)-7-azanyl-1-(phenylsulfonyl)hept-1-en-3-yl]carbamate Openeye Name: tert-butyl N-[(1S)-5-amino-1-[(E)-2-(benzenesulfonyl)vinyl]pentyl]carbamate CAS Name: N-[(E,3S)-7-amino-1-(benzenesulfonyl)hept-1-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3S)-7-amino-1-(benzenesulfonyl)hept-1-en-3-yl]carbamate Traditional Name: N-[(E,1S)-1-(4-aminobutyl)-3-besyl-allyl]carbamic acid tert-butyl ester Formula: C18H28N2O4S MolecularWeight: 368.49092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCN)C=CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCN)/C=C/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H28N2O4S/c1-18(2,3)24-17(21)20-15(9-7-8-13-19)12-14-25(22,23)16-10-5-4-6-11-16/h4-6,10-12,14-15H,7-9,13,19H2,1-3H3,(H,20,21)/b14-12+/t15-/m0/s1