N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-(ethylamino)-3-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-(ethylamino)-3-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-4-(ethylamino)-3-nitro-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-4-(ethylamino)-3-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-4-(ethylamino)-3-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-4-(ethylamino)-3-nitro-benzamide Formula: C25H33N5O6S MolecularWeight: 531.62442

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O6S/c1-2-26-21-9-7-19(17-24(21)30(32)33)25(31)27-22-18-20(37(34,35)29-13-15-36-16-14-29)8-10-23(22)28-11-5-3-4-6-12-28/h7-10,17-18,26H,2-6,11-16H2,1H3,(H,27,31)