N-(1-adamantylmethyl)-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-(1-adamantylmethyl)-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-(1-adamantylmethyl)-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-(1-adamantylmethyl)-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-(1-adamantylmethyl)-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: 1-adamantylmethyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N3O5S/c25-24(26)18-1-2-19(20(10-18)30(27,28)23-3-5-29-6-4-23)22-14-21-11-15-7-16(12-21)9-17(8-15)13-21/h1-2,10,15-17,22H,3-9,11-14H2