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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[2-(2-furyl)-2-piperidino-ethyl]amine Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CO3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CO3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O5S/c28-27(29)21-17-19(33(30,31)26-14-6-1-2-7-15-26)10-11-20(21)24-18-22(23-9-8-16-32-23)25-12-4-3-5-13-25/h8-11,16-17,22,24H,1-7,12-15,18H2