2-azanyl-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]hex-4-ynamide

Systemtic Name: 2-azanyl-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]hex-4-ynamide Openeye Name: 2-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]hex-4-ynamide CAS Name: 2-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-hexynamide IUPAC Name: 2-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]hex-4-ynamide Traditional Name: 2-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]hex-4-ynamide Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O)N

Isomeric SMILES

CC#CCC(C(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O)N

InChI

InChI=1S/C27H35N3O6S/c1-4-5-11-22(28)27(32)29-23(14-20-9-7-6-8-10-20)24(31)17-30(16-19(2)3)37(33,34)21-12-13-25-26(15-21)36-18-35-25/h6-10,12-13,15,19,22-24,31H,11,14,16-18,28H2,1-3H3,(H,29,32)