4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2-phenyl-2-pyrrolidino-ethyl)amine Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O4S/c29-28(30)23-18-21(33(31,32)27-16-6-1-2-7-17-27)12-13-22(23)25-19-24(26-14-8-9-15-26)20-10-4-3-5-11-20/h3-5,10-13,18,24-25H,1-2,6-9,14-17,19H2