2-azanyl-N-[5-[(4-azanyl-3-fluoranyl-phenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-3-naphthalen-2-yl-propanamide

Systemtic Name: 2-azanyl-N-[5-[(4-azanyl-3-fluoranyl-phenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-3-naphthalen-2-yl-propanamide Openeye Name: 2-amino-N-[5-[(4-amino-3-fluoro-phenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-3-(2-naphthyl)propanamide CAS Name: 2-amino-N-[5-[(4-amino-3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(2-naphthalenyl)propanamide IUPAC Name: 2-amino-N-[5-[(4-amino-3-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-naphthalen-2-ylpropanamide Traditional Name: 2-amino-N-[5-[(4-amino-3-fluoro-phenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-3-(2-naphthyl)propionamide Formula: C29H39FN4O4S MolecularWeight: 558.707763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)C(CC1=CC2=CC=CC=C2C=C1)N)CO)S(=O)(=O)C3=CC(=C(C=C3)N)F

Isomeric SMILES

CC(C)CN(C(CCCCNC(=O)C(CC1=CC2=CC=CC=C2C=C1)N)CO)S(=O)(=O)C3=CC(=C(C=C3)N)F

InChI

InChI=1S/C29H39FN4O4S/c1-20(2)18-34(39(37,38)25-12-13-27(31)26(30)17-25)24(19-35)9-5-6-14-33-29(36)28(32)16-21-10-11-22-7-3-4-8-23(22)15-21/h3-4,7-8,10-13,15,17,20,24,28,35H,5-6,9,14,16,18-19,31-32H2,1-2H3,(H,33,36)