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

Systemtic Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-1,4-diazepan-1-yl]acetamide Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O5S/c1-16(2)21-20(26)15-22-8-5-9-23(13-12-22)18-7-6-17(14-19(18)25(27)28)31(29,30)24-10-3-4-11-24/h6-7,14,16H,3-5,8-13,15H2,1-2H3,(H,21,26)