3-azanyl-4-(3-phenyl-1-adamantyl)butane-1-sulfonic acid

Systemtic Name: 3-azanyl-4-(3-phenyl-1-adamantyl)butane-1-sulfonic acid Openeye Name: 3-amino-4-(3-phenyl-1-adamantyl)butane-1-sulfonic acid CAS Name: 3-amino-4-(3-phenyl-1-adamantyl)-1-butanesulfonic acid IUPAC Name: 3-amino-4-(3-phenyl-1-adamantyl)butane-1-sulfonic acid Traditional Name: 3-amino-4-(3-phenyl-1-adamantyl)butane-1-sulfonic acid Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=CC=C4)CC(CCS(=O)(=O)O)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=CC=C4)CC(CCS(=O)(=O)O)N

InChI

InChI=1S/C20H29NO3S/c21-18(6-7-25(22,23)24)13-19-9-15-8-16(10-19)12-20(11-15,14-19)17-4-2-1-3-5-17/h1-5,15-16,18H,6-14,21H2,(H,22,23,24)