N-(2-acetamidoethyl)-4-(2-hydroxyphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-acetamidoethyl)-4-(2-hydroxyphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(2-acetamidoethyl)-4-(2-hydroxyphenyl)sulfanyl-3-nitro-benzamide CAS Name: N-(2-acetamidoethyl)-4-[(2-hydroxyphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(2-acetamidoethyl)-4-(2-hydroxyphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(2-acetamidoethyl)-4-[(2-hydroxyphenyl)thio]-3-nitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-11(21)18-8-9-19-17(23)12-6-7-15(13(10-12)20(24)25)26-16-5-3-2-4-14(16)22/h2-7,10,22H,8-9H2,1H3,(H,18,21)(H,19,23)