2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-N-[(4-nitrophenyl)methyl]aniline

Systemtic Name: 2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-N-[(4-nitrophenyl)methyl]aniline Openeye Name: 2-(azepan-1-yl)-5-morpholinosulfonyl-N-[(4-nitrophenyl)methyl]aniline CAS Name: 2-(1-azepanyl)-5-(4-morpholinylsulfonyl)-N-[(4-nitrophenyl)methyl]aniline IUPAC Name: 2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-N-[(4-nitrophenyl)methyl]aniline Traditional Name: [2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-(4-nitrobenzyl)amine Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5S/c28-27(29)20-7-5-19(6-8-20)18-24-22-17-21(33(30,31)26-13-15-32-16-14-26)9-10-23(22)25-11-3-1-2-4-12-25/h5-10,17,24H,1-4,11-16,18H2