2-[(4-butan-2-ylphenyl)-(3-nitrophenyl)sulfonyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[(4-butan-2-ylphenyl)-(3-nitrophenyl)sulfonyl-amino]-N-propyl-ethanamide Openeye Name: 2-(N-(3-nitrophenyl)sulfonyl-4-sec-butyl-anilino)-N-propyl-acetamide CAS Name: 2-(4-butan-2-yl-N-(3-nitrophenyl)sulfonylanilino)-N-propylacetamide IUPAC Name: 2-(4-butan-2-yl-N-(3-nitrophenyl)sulfonylanilino)-N-propylacetamide Traditional Name: 2-(N-(3-nitrophenyl)sulfonyl-4-sec-butyl-anilino)-N-propyl-acetamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C1=CC=C(C=C1)C(C)CC)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CN(C1=CC=C(C=C1)C(C)CC)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-4-13-22-21(25)15-23(18-11-9-17(10-12-18)16(3)5-2)30(28,29)20-8-6-7-19(14-20)24(26)27/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,22,25)