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

Systemtic Name: 2-azanyl-N-[4-(1,3-benzoxazol-2-yl)-4-oxidanyl-butyl]-3-(phenylmethyl)sulfonyl-propanamide hydrochloride Openeye Name: 2-amino-N-[4-(1,3-benzoxazol-2-yl)-4-hydroxy-butyl]-3-benzylsulfonyl-propanamide hydrochloride CAS Name: 2-amino-N-[4-(1,3-benzoxazol-2-yl)-4-hydroxybutyl]-3-(phenylmethyl)sulfonylpropanamide hydrochloride IUPAC Name: 2-amino-N-[4-(1,3-benzoxazol-2-yl)-4-hydroxybutyl]-3-benzylsulfonylpropanamide hydrochloride Traditional Name: 2-amino-N-[4-(1,3-benzoxazol-2-yl)-4-hydroxy-butyl]-3-benzylsulfonyl-propionamide hydrochloride Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCCCC(C2=NC3=CC=CC=C3O2)O)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCCCC(C2=NC3=CC=CC=C3O2)O)N.Cl

InChI

InChI=1S/C21H25N3O5S.ClH/c22-16(14-30(27,28)13-15-7-2-1-3-8-15)20(26)23-12-6-10-18(25)21-24-17-9-4-5-11-19(17)29-21;/h1-5,7-9,11,16,18,25H,6,10,12-14,22H2,(H,23,26);1H