N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-2,2,6,6-tetramethyl-piperidin-4-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-2,2,6,6-tetramethyl-piperidin-4-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-2,2,6,6-tetramethyl-piperidin-4-amine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-2,2,6,6-tetramethyl-4-piperidinamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-2,2,6,6-tetramethylpiperidin-4-amine Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2,2,6,6-tetramethyl-4-piperidyl)amine Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1)(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC(N1)(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H34N4O4S/c1-20(2)14-16(15-21(3,4)23-20)22-18-10-9-17(13-19(18)25(26)27)30(28,29)24-11-7-5-6-8-12-24/h9-10,13,16,22-23H,5-8,11-12,14-15H2,1-4H3