3-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)-2-nitroanilino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-1-pyrrolidino-propan-1-one Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c24-19(21-11-5-6-12-21)9-10-20-17-8-7-16(15-18(17)23(25)26)29(27,28)22-13-3-1-2-4-14-22/h7-8,15,20H,1-6,9-14H2