[4-[(7-azanyl-2,2-dimethyl-heptyl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl] carbamate

Systemtic Name: [4-[(7-azanyl-2,2-dimethyl-heptyl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl] carbamate Openeye Name: [3-[(7-amino-2,2-dimethyl-heptyl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-1-benzyl-2-hydroxy-propyl] carbamate CAS Name: carbamic acid [4-[(7-amino-2,2-dimethylheptyl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl] ester IUPAC Name: [4-[(7-amino-2,2-dimethylheptyl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl] carbamate Traditional Name: carbamic acid [3-[(7-amino-2,2-dimethyl-heptyl)-(1,3-benzodioxol-5-ylsulfonyl)amino]-1-benzyl-2-hydroxy-propyl] ester Formula: C27H39N3O7S MolecularWeight: 549.67946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCN)CN(CC(C(CC1=CC=CC=C1)OC(=O)N)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(CCCCCN)CN(CC(C(CC1=CC=CC=C1)OC(=O)N)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C27H39N3O7S/c1-27(2,13-7-4-8-14-28)18-30(38(33,34)21-11-12-23-25(16-21)36-19-35-23)17-22(31)24(37-26(29)32)15-20-9-5-3-6-10-20/h3,5-6,9-12,16,22,24,31H,4,7-8,13-15,17-19,28H2,1-2H3,(H2,29,32)