4-[[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[4-(1-azepanylsulfonyl)-N-methyl-2-nitroanilino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitroanilino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]methyl]-N-cyclopropyl-benzamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c1-26(17-18-6-8-19(9-7-18)24(29)25-20-10-11-20)22-13-12-21(16-23(22)28(30)31)34(32,33)27-14-4-2-3-5-15-27/h6-9,12-13,16,20H,2-5,10-11,14-15,17H2,1H3,(H,25,29)