(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonylamino]-3-hydroxy-propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonylamino]-3-hydroxypropanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)sulfonylamino]-3-hydroxypropanamide Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-hydroxy-N-piperonyl-propionamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CO)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CO)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O6S/c1-21(2,3)15-5-7-16(8-6-15)30(26,27)23-17(12-24)20(25)22-11-14-4-9-18-19(10-14)29-13-28-18/h4-10,17,23-24H,11-13H2,1-3H3,(H,22,25)/t17-/m0/s1