4-(azepan-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[2-(2-furyl)-2-pyrrolidino-ethyl]amine Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CO3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CO3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5S/c27-26(28)20-16-18(32(29,30)25-13-3-1-2-4-14-25)9-10-19(20)23-17-21(22-8-7-15-31-22)24-11-5-6-12-24/h7-10,15-16,21,23H,1-6,11-14,17H2