3-[(2,4-dichlorophenyl)methylamino]-4-nitro-N-pentylsulfonyl-benzamide

Systemtic Name: 3-[(2,4-dichlorophenyl)methylamino]-4-nitro-N-pentylsulfonyl-benzamide Openeye Name: 3-[(2,4-dichlorophenyl)methylamino]-4-nitro-N-pentylsulfonyl-benzamide CAS Name: 3-[(2,4-dichlorophenyl)methylamino]-4-nitro-N-pentylsulfonylbenzamide IUPAC Name: 3-[(2,4-dichlorophenyl)methylamino]-4-nitro-N-pentylsulfonylbenzamide Traditional Name: N-amylsulfonyl-3-[(2,4-dichlorobenzyl)amino]-4-nitro-benzamide Formula: C19H21Cl2N3O5S MolecularWeight: 474.35814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3O5S/c1-2-3-4-9-30(28,29)23-19(25)13-6-8-18(24(26)27)17(10-13)22-12-14-5-7-15(20)11-16(14)21/h5-8,10-11,22H,2-4,9,12H2,1H3,(H,23,25)