2-[4-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(2-morpholinosulfonyl-4-nitro-phenyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(2-morpholinosulfonyl-4-nitro-phenyl)-1,4-diazepan-1-yl]acetamide Formula: C20H31N5O6S MolecularWeight: 469.55504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H31N5O6S/c1-16(2)21-20(26)15-22-6-3-7-23(9-8-22)18-5-4-17(25(27)28)14-19(18)32(29,30)24-10-12-31-13-11-24/h4-5,14,16H,3,6-13,15H2,1-2H3,(H,21,26)