N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C23H30N4O6S MolecularWeight: 490.5725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N4O6S/c1-17-7-9-19(16-22(17)34(31,32)26-12-5-3-4-6-13-26)25-23(28)18-8-10-20(24-11-14-33-2)21(15-18)27(29)30/h7-10,15-16,24H,3-6,11-14H2,1-2H3,(H,25,28)