2-azanyl-N-[2-(1,3-benzoxazol-2-yl)-4-(2-hydroxyphenyl)butyl]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: 2-azanyl-N-[2-(1,3-benzoxazol-2-yl)-4-(2-hydroxyphenyl)butyl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 2-amino-N-[2-(1,3-benzoxazol-2-yl)-4-(2-hydroxyphenyl)butyl]-3-benzylsulfonyl-propanamide CAS Name: 2-amino-N-[2-(1,3-benzoxazol-2-yl)-4-(2-hydroxyphenyl)butyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 2-amino-N-[2-(1,3-benzoxazol-2-yl)-4-(2-hydroxyphenyl)butyl]-3-benzylsulfonylpropanamide Traditional Name: 2-amino-N-[2-(1,3-benzoxazol-2-yl)-4-(2-hydroxyphenyl)butyl]-3-benzylsulfonyl-propionamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC(CCC2=CC=CC=C2O)C3=NC4=CC=CC=C4O3)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC(CCC2=CC=CC=C2O)C3=NC4=CC=CC=C4O3)N

InChI

InChI=1S/C27H29N3O5S/c28-22(18-36(33,34)17-19-8-2-1-3-9-19)26(32)29-16-21(15-14-20-10-4-6-12-24(20)31)27-30-23-11-5-7-13-25(23)35-27/h1-13,21-22,31H,14-18,28H2,(H,29,32)